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euphonic-dos

The euphonic-dos program can be used to plot density of states, partial density of states, and/or neutron-weighted density of states. It can use pre-calculated frequencies, or use force constants to generate frequencies and DOS over a Monkhorst-Pack grid. For example, to plot DOS from a Phonopy mesh.yaml file in units of THz, run:

euphonic-dos NaCl/mesh.yaml --energy-unit THz

A DOS plot for NaCl, with the x-axis in units of THz

Or, to plot coherent neutron-weighted DOS from CASTEP force constants in a .castep_bin file on a 15x15x12 grid with 1.5 meV broadening, run:

euphonic-dos quartz.castep_bin --weighting coherent-dos --grid 15 15 12 --energy-broadening 1.5

A coherent neutron-weighted PDOS plot for quartz, with lines for PDOS of Silicon and Oxygen and a line for the total DOS. Each DOS has been broadened by 1.5 meV and the x-axis is in default energy units of meV.

To see all the command line options, run:

euphonic-dos -h

You can also see the available command line options below. For information on advanced plot styling, see :ref:`styling`.

Command Line Options

.. argparse::
   :module: euphonic.cli.dos
   :func: get_parser
   :prog: euphonic-dos